Geometry & MOs

Info

ID:	229211
PubChem CID:	87567188
Reduced:	KSi2C6N6H13 (1)
Stoich.:	AB2C6D6E13 (1)
Weight, g/mol:	372.076521
ΔH_f, kcal/mol:	120.47
Dipole, Da:	11.52
IP(EA), eV:	-6.15(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl-[[2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)phenyl]methyl]azanide;titanium(3+);dichloride

Drug info:

PubChemData

Smile

C(CCC[Si]N=[N+]=[N-])CC[Si]N=[N+]=N.[K]

DOS

IR

Vibrations